TL;DR: 4-(3-Methoxypropoxy)-2,3-dimethyl-1-oxo-1lambda~5~-pyridine (CAS 117977-18-1) is a chemical compound with molecular formula C11H17NO3 and molecular weight 211.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-methoxypropoxy)-2,3-dimethyl-1-oxidopyridin-1-ium
Also Known As: 4-(3-METHOXYPROPOXY)-2,3-DIMETHYLPYRIDINE 1-OXIDE, 4-(3-methoxypropoxy)-2,3-dimethylpyridine-N-oxide, Rabeprazole Impurity 41, Lansoprazole Impurity 37, Pyridine,4-(3-methoxypropoxy)-2,3-dimethyl-, 1-oxide
| Molecular Formula | C11H17NO3 |
| Molecular Weight | 211.12085 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 211.12085 Da |
| Heavy Atoms | 15 |
| Complexity | 177.0 |
| SMILES | CC1=C(C=C[N+](=C1C)[O-])OCCCOC |
| InChIKey | NZQKWDSCDLYKDF-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Methoxypropoxy)-2,3-dimethyl-1-oxo-1lambda~5~-pyridine. With a topological polar surface area (TPSA) of 43.9 Ų, 4-(3-Methoxypropoxy)-2,3-dimethyl-1-oxo-1lambda~5~-pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Methoxypropoxy)-2,3-dimethyl-1-oxo-1lambda~5~-pyridine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-(3-Methoxypropoxy)-2,3-dimethyl-1-oxo-1lambda~5~-pyridine is 117977-18-1.
The molecular formula of 4-(3-Methoxypropoxy)-2,3-dimethyl-1-oxo-1lambda~5~-pyridine is C11H17NO3.
The molecular weight of 4-(3-Methoxypropoxy)-2,3-dimethyl-1-oxo-1lambda~5~-pyridine is 211.12085 g/mol.
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